SCHEMBL6975974

SCHEMBL6975974

COc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)cc1)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.48
AKR1C2 P52895 5/20 0.48
PTGES O14684 2/20 0.47
ALOX5 P09917 2/20 0.47
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 3/20 0.44
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 2/20 0.41
MEN1 O00255 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
ALB P02768 1/20 0.41
CYP1A2 P05177 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6965033 0.96 AKR1C3 (0.44) AKR1C3AKR1C2PTGESALOX5MAPT
SCHEMBL6968051 0.95 AKR1C3 (0.46) AKR1C3AKR1C2PTGESALOX5HTR6
SCHEMBL6967437 0.91 KMT2A (0.43) AKR1C3AKR1C2PTGESALOX5MAPT
SCHEMBL6967255 0.90 AKR1C3 (0.42) AKR1C3AKR1C2PTGESALOX5HTR6
SCHEMBL6975027 0.86 HTR6 (0.45) AKR1C3AKR1C2PTGESALOX5MAPT
SCHEMBL6972542 0.84 MAPT (0.47) AKR1C3AKR1C2PTGESALOX5MAPT
SCHEMBL6975922 0.83 NPC1 (0.43) AKR1C3AKR1C2PTGESALOX5MAPT
SCHEMBL6968667 0.81 HTR6 (0.48) AKR1C3AKR1C2MAPTKMT2AHTR6
SCHEMBL6966615 0.81 KMT2A (0.43) AKR1C3AKR1C2MAPTKMT2AHTR6
SCHEMBL6970836 0.81 PKM (0.40) MAPTKMT2AHTR6L3MBTL1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP claimed
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP disclosed